NEW BASIS-SETS IN QUANTUM-MECHANICS OF MOLECULES - HERMITE-GAUSSIAN FUNCTIONS

被引：3
作者：
MAKSIC, ZB
KOVACEVIC, K
PRIMORAC, M
机构：
[1] UNIV ZAGREB, FAC NAT SCI & MATH, YU-41001 ZAGREB, YUGOSLAVIA
[2] UNIV ZAGREB, FAC FORESTRY, YU-41001 ZAGREB, YUGOSLAVIA
来源：
PURE AND APPLIED CHEMISTRY | 1989年 / 61卷 / 12期
关键词：
D O I：
10.1351/pac198961122075
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：2075 / 2085
页数：11
相关论文
共 80 条
[1]   FORMULAS FOR EVALUATION OF EXPECTATION VALUES OF MONOELECTRIC OPERATORS WITH MODIFIED GAUSSIAN FUNCTIONS [J].
BIONDI, F ;
SALVETTI, O ;
GOLEBIEWSKI, A .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 12 (01) :29-34
[2]  
BONACIC V, 1957, J CHEM PHYS, V62, P1509
[3]  
BONACIC V, 1974, J CHEM PHYS, V60, P2779
[4]  
BONACIC V, 1957, J CHEM PHYS, V62, P1507
[5]   ELECTRONIC WAVE FUNCTIONS .1. A GENERAL METHOD OF CALCULATION FOR THE STATIONARY STATES OF ANY MOLECULAR SYSTEM [J].
BOYS, SF .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1950, 200 (1063) :542-554
[6]   QUANTUM-MECHANICAL INTEGRALS OVER GAUSSIAN ATOMIC ORBITALS [J].
BROWNE, JC ;
POSHUSTA, RD .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (07) :1933-&
[7]   OPTIMUM ATOMIC ORBITALS FOR MOLECULAR CALCULATIONS - REVIEW [J].
BURDEN, FR .
ADVANCES IN PHYSICS, 1972, 21 (94) :825-915
[8]  
Carsky Petr, 1980, AB INITIO CALCULATIO, P01
[9]   Ab initio calculations on large molecules using molecular fragments. Preliminary investigations [J].
Christoffersen, Ralph E. ;
Maggiora, Gerald M. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (06) :419-423
[10]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
12345678